(1-cyclohexylpyrazol-4-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclohexylpyrazol-4-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclohexylpyrazol-4-yl)methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: (1-cyclohexyl-4-pyrazolyl)methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclohexylpyrazol-4-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclohexylpyrazol-4-yl)methyl-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(C=N2)C[NH+](CC3=CN=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C=C(C=N2)C[NH+](CC3=CN=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C21H26N4O/c1-2-7-20(8-3-1)25-16-19(13-23-25)15-24(17-21-9-5-11-26-21)14-18-6-4-10-22-12-18/h4-6,9-13,16,20H,1-3,7-8,14-15,17H2/p+1